Left model: the subunit is Cartoons, colored Structure; RAL is Ball & Stick, colored CPK. The 12 helices are numbered at their N-termini.
Right model: the subunit is Cartoons, colored red, except for helix 12 (green). RAL is Spacefill, colored purple. The N- and C-termini are labeled. See Pike, et al. (1999) Fig. 1B.
The numbered "Highlight" buttons above display details of the RAL and Helix 12 binding sites on ER. The following paragraphs briefly describe the displays.
1. Close-up of the RAL binding site. H-bonding residues are Ball & Stick; apolar residues are shown as Sticks, colored CPK. See Pike, Fig. 5B. H-bond distances in Å.
Close contacts: ER atoms <4.5 Å from RAL are yellow. Display the contact atoms as Spacefill or as Sticks (Dot surface).
2. Close-up of the Helix 12 binding site. Helix 12 residues are
shown as Sticks, colored blue. See Pike, Fig. 6A.
Close contacts: ER atoms <4.5 Å from Helix 12 are green;
Helix 12 atoms <4.5 Å from the ER are yellow.
Display the ER binding site as Spacefill and/or the helix 12
contacts as a Dot surface.
Page Top
This estrogen receptor structure is described in This
estrogen receptor structure is described in Pike, A. C. W., Brzozowski,
A. M., Hubbard, R. E., Bonn, T., Thorsell, A.-G., Engstrom, O., Ljunggren,
J., Gustaffson, J.-A., Carlquist, M. (1999) "Structure of the Ligand-Binding
Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist
and a Full Antagonist." Embo J. 18:101.
PubMed.
[1qkn.pdb; 2.3 Å; R = 0.20]
Additional ER structures:
A. Estrogen Receptora
ERa complexes with bound:
Estradiol (EST),
an agonist.
Raloxifene (RAL),
an antagonist.
Diethylstilbestrol (DES),
an agonist & the NR Box II peptide.
Tamoxifen (OHT),
an antagonist.
(Estradiol (EST),
in an unusual tetrameric structure.)
B. Estrogen Receptorb
ERb complexes with bound:
Genistein (GEN),
a partial agonist.
Raloxifene (RAL), an antagonist.
C. Structural Alignments Pairwise superimposed comparisons:
ERa
(EST) and ERb (GEN),
ERa vs. ERb
in agonist complexes.
ERa
(RAL) and ERb (RAL),
ERa vs. ERb
in antagonist complexes.
ERa:
DES and OHT, ERa:
agonist vs. antagonist complex.
ERa:
EST, Wild type ER vs. a triple mutant (Helix 12 in the antagonist
conformation).
ERa:
EST, The Brzozowski, et al. (1997) vs. Tanenbaum, et al. (1998)
models.
"Helix 12 Gallery":
ERa-EST vs. All five ER-antagonist
(SERM) models.
D. DNA-Binding Domain:
ER-DBD Complex
Base pair & backbone contacts.
